N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide

C12H16N4O4 — CID 141205442

IUPACN-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide
SMILESCN(C)C(=O)CN1OC[C@@H](NC(=O)c2cc[nH]c2)C1=O
InChIInChI=1S/C12H16N4O4/c1-15(2)10(17)6-16-12(19)9(7-20-16)14-11(18)8-3-4-13-5-8/h3-5,9,13H,6-7H2,1-2H3,(H,14,18)/t9-/m1/s1
InChIKeyHQOZQWNSSLOGAZ-SECBINFHSA-N
MW280.28 g/mol
LogP-1.02
Rot. Bonds4

About N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide

N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide (PubChem CID 141205442) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide
PubChem CID141205442
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC NameN-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide
SMILESCN(C)C(=O)CN1OC[C@@H](NC(=O)c2cc[nH]c2)C1=O
InChIInChI=1S/C12H16N4O4/c1-15(2)10(17)6-16-12(19)9(7-20-16)14-11(18)8-3-4-13-5-8/h3-5,9,13H,6-7H2,1-2H3,(H,14,18)/t9-/m1/s1
InChIKeyHQOZQWNSSLOGAZ-SECBINFHSA-N
XLogP-1.02
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide (CID 141205442) is N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide is CN(C)C(=O)CN1OC[C@@H](NC(=O)c2cc[nH]c2)C1=O.
What is the InChIKey of N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is HQOZQWNSSLOGAZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-15(2)10(17)6-16-12(19)9(7-20-16)14-11(18)8-3-4-13-5-8/h3-5,9,13H,6-7H2,1-2H3,(H,14,18)/t9-/m1/s1.
What are the key properties of N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide?
N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,2-oxazolidin-4-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 141205442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).